N-[(5-methylpyrazin-2-yl)methyl]-2-(2,2,2-trifluoroethoxy)ethanamine

C10H14F3N3O — CID 55122186

IUPACN-[(5-methylpyrazin-2-yl)methyl]-2-(2,2,2-trifluoroethoxy)ethanamine
SMILESCc1cnc(CNCCOCC(F)(F)F)cn1
InChIInChI=1S/C10H14F3N3O/c1-8-4-16-9(6-15-8)5-14-2-3-17-7-10(11,12)13/h4,6,14H,2-3,5,7H2,1H3
InChIKeyCKUWUXYXRWJLHB-UHFFFAOYSA-N
MW249.24 g/mol
LogP1.45
Rot. Bonds6

About N-[(5-methylpyrazin-2-yl)methyl]-2-(2,2,2-trifluoroethoxy)ethanamine

N-[(5-methylpyrazin-2-yl)methyl]-2-(2,2,2-trifluoroethoxy)ethanamine (PubChem CID 55122186) has the molecular formula C10H14F3N3O and a molecular weight of 249.24 g/mol. Its IUPAC name is N-[(5-methylpyrazin-2-yl)methyl]-2-(2,2,2-trifluoroethoxy)ethanamine.

Molecular Properties

Compound NameN-[(5-methylpyrazin-2-yl)methyl]-2-(2,2,2-trifluoroethoxy)ethanamine
PubChem CID55122186
Molecular FormulaC10H14F3N3O
Molecular Weight249.24 g/mol
Exact Mass249.11
IUPAC NameN-[(5-methylpyrazin-2-yl)methyl]-2-(2,2,2-trifluoroethoxy)ethanamine
SMILESCc1cnc(CNCCOCC(F)(F)F)cn1
InChIInChI=1S/C10H14F3N3O/c1-8-4-16-9(6-15-8)5-14-2-3-17-7-10(11,12)13/h4,6,14H,2-3,5,7H2,1H3
InChIKeyCKUWUXYXRWJLHB-UHFFFAOYSA-N
XLogP1.45
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.24
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(5-methylpyrazin-2-yl)methyl]-2-(2,2,2-trifluoroethoxy)ethanamine?
The IUPAC name of N-[(5-methylpyrazin-2-yl)methyl]-2-(2,2,2-trifluoroethoxy)ethanamine (CID 55122186) is N-[(5-methylpyrazin-2-yl)methyl]-2-(2,2,2-trifluoroethoxy)ethanamine.
What is the SMILES notation for N-[(5-methylpyrazin-2-yl)methyl]-2-(2,2,2-trifluoroethoxy)ethanamine?
The canonical SMILES for N-[(5-methylpyrazin-2-yl)methyl]-2-(2,2,2-trifluoroethoxy)ethanamine is Cc1cnc(CNCCOCC(F)(F)F)cn1.
What is the InChIKey of N-[(5-methylpyrazin-2-yl)methyl]-2-(2,2,2-trifluoroethoxy)ethanamine?
The InChIKey is CKUWUXYXRWJLHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F3N3O/c1-8-4-16-9(6-15-8)5-14-2-3-17-7-10(11,12)13/h4,6,14H,2-3,5,7H2,1H3.
What are the key properties of N-[(5-methylpyrazin-2-yl)methyl]-2-(2,2,2-trifluoroethoxy)ethanamine?
N-[(5-methylpyrazin-2-yl)methyl]-2-(2,2,2-trifluoroethoxy)ethanamine has a molecular weight of 249.24 g/mol, XLogP of 1.45, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-methylpyrazin-2-yl)methyl]-2-(2,2,2-trifluoroethoxy)ethanamine is sourced from PubChem (CID 55122186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).